SCHEMBL7236107

SCHEMBL7236107

CC1(C)CCC2=C(C1=O)C(c1ccc3nsnc3c1)C1=C(CCS1)N2

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 5/20 0.45
KCNJ11 Q14654 5/20 0.45
ABCC8 Q09428 4/20 0.45
KCNJ8 Q15842 4/20 0.45
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
QPCT Q16769 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7238571 0.88 ABCC9 (0.45) ABCC9KCNJ11ABCC8KCNJ8GSK3A
SCHEMBL7232889 0.82 ABCC9 (0.52) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL6434872 0.82 ABCC9 (0.65) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7627082 0.82 ABCC9 (0.52) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7232836 0.82 ABCC9 (0.43) ABCC9KCNJ11ABCC8KCNJ8GSK3A
SCHEMBL7243050 0.81 ABCC9 (0.45) ABCC9KCNJ11ABCC8KCNJ8GSK3A
SCHEMBL7629532 0.81 ABCC9 (0.43) ABCC9KCNJ11ABCC8KCNJ8GSK3A
SCHEMBL7239802 0.81 ABCC9 (0.45) ABCC9KCNJ11ABCC8KCNJ8GSK3A
SCHEMBL7233960 0.80 ABCC9 (0.48) ABCC9KCNJ11ABCC8KCNJ8GSK3A
SCHEMBL7628655 0.80 ABCC9 (0.50) ABCC9KCNJ11ABCC8KCNJ8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6593335-B1 Disease than can be ameliorated with a potassium channel opener in a host mammal, comprising administering to the mammal in need thereof a therapeutically effective amount of the compound of claim 1; said disease is epilepsy, Raynaud's ABBOTT LABORATORIES 2003-07-15 US disclosed
EP-1194429-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-10 EP disclosed
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 WO disclosed